Geometry & MOs

Info

ID:	361803
PubChem CID:	127304709
Reduced:	N2S2O5C15H22 (1)
Stoich.:	A2B2C5D15E22 (1)
Weight, g/mol:	300.060235
ΔH_f, kcal/mol:	-196.08
Dipole, Da:	5.67
IP(EA), eV:	-10.01(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-pyridin-4-ylsulfanylethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations